SCHEMBL9894484

SCHEMBL9894484

N#CC[C@]1(n2cc(-c3ncnc4[nH]ccc34)cn2)C[C@H](N2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.82
JAK1 P23458 10/20 0.82
MERTK Q12866 3/20 0.82
AXL P30530 2/20 0.82
TYK2 P29597 1/20 0.82
JAK3 P52333 1/20 0.82
TYRO3 Q06418 1/20 0.82

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9894050 1.00 JAK2 (0.82) JAK2JAK1MERTKAXLTYK2
SCHEMBL6126998 1.00 JAK2 (0.82) JAK2JAK1MERTKAXLTYK2
Itacitinib SCHEMBL2396080 0.90 JAK2 (1.00) JAK2JAK1MERTKAXLTYK2
Itacitinib SCHEMBL29456952 0.90 JAK2 (1.00) JAK2JAK1MERTKAXLTYK2
Itacitinib SCHEMBL29360482 0.90 JAK2 (1.00) JAK2JAK1MERTKAXLTYK2
Itacitinib SCHEMBL29377548 0.90 JAK2 (1.00) JAK2JAK1MERTKAXLTYK2
SCHEMBL6126878 0.90 JAK2 (0.82) JAK2JAK1MERTKAXLTYK2
SCHEMBL9927007 0.90 JAK2 (0.82) JAK2JAK1MERTKAXLTYK2
SCHEMBL6126875 0.90 JAK2 (0.82) JAK2JAK1MERTKAXLTYK2
SCHEMBL9894036 0.90 AXL (0.70) JAK2JAK1MERTKAXLTYK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885MERTK 488/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885MERTK 500/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885MERTK 488/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885MERTK 488/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.